Structure of PDB 4m2f Chain D Binding Site BS02

Receptor Information

>4m2f Chain D (length=336) Species: 58340 (Streptomyces lavendulae subsp. lavendulae)

TPSYSLTPAEASAVAELTLELAAAYGSFGDPVLLRDLPRLAARLPEGVQD
FLREFKLADRHGHTVIRGHDFDQRRIGPTPDHWRGRVRPGPEFPEELLLM
LYSALLGEPFGWATQQDGHLVHDIFPIRSHENDQLGMGSKQLLTWHTEDA
FHPYRSDYLILGALRNPDHVPTTVGELDLSSLSAEDIDVLFEPRYHIAPD
ESHLPKNNTIATEEEAARFATIQRMIDERPLGPLLYGSRLDPYMRLDPYF
TSVPQDDTDARRAYDALFKVVDSGMREVVADQGDVLFIDNHRAVHGRLPF
QARYDGTDRWLKRVCVTSDLRRSREMRATSATRLLG

Ligand information

• Ligand ID: GGB
• InChI: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
• InChIKey: FSBIGDSBMBYOPN-VKHMYHEASA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)CCONC(=[N@H])N
  OpenEye OEToolkits 1.5.0: [H]N=C(N)NOCCC(C(=O)O)N
  CACTVS 3.341: N[CH](CCONC(N)=N)C(O)=O
  CACTVS 3.341: N[C@@H](CCONC(N)=N)C(O)=O
  OpenEye OEToolkits 1.5.0: [H]/N=C(\N)/NOCC[C@@H](C(=O)O)N
• Formula: C5 H12 N4 O3
• Name: L-CANAVANINE;
  L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID
• ChEMBL: CHEMBL443732
• DrugBank: DB01833
• ZINC: ZINC000003869452
• PDB chain: 4m2f Chain D Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4m2f Biosynthesis of streptolidine involved two unexpected intermediates produced by a dihydroxylase and a cyclase through unusual mechanisms.
• Resolution: 1.92 Å
• Binding residue (original residue number in PDB): Q123 Q142 L143 G144 H154 E156 D208 S210 D255 F258 R321
• Binding residue (residue number reindexed from 1): Q115 Q134 L135 G136 H146 E148 D200 S202 D247 F250 R313
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 1.14.11.41: L-arginine hydroxylase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0102525 2-oxoglutarate, L-arginine oxygenase (succinate-forming) activity

External links

• PDB: RCSB:4m2f, PDBe:4m2f, PDBj:4m2f
• PDBsum: 4m2f
• PubMed: 24505011
• UniProt: G9MBV2